REMARK Name = BDB026294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.037 -0.184 0.048 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.403 0.690 0.928 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.100 1.304 1.897 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.960 0.965 0.824 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.762 0.358 -0.160 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.137 -0.584 -1.015 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.253 -0.804 -0.932 0.00 0.00 +0.036 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 6.589 -1.295 -0.093 0.00 0.00 +0.403 C ATOM 9 N LIG 1 5.258 -0.995 0.146 0.00 0.00 -0.263 N ATOM 10 C LIG 1 4.822 0.321 0.606 0.00 0.00 +0.116 C ATOM 11 C LIG 1 3.445 0.687 0.048 0.00 0.00 +0.054 C ATOM 12 C LIG 1 2.480 -0.467 0.133 0.00 0.00 -0.038 C ATOM 13 C LIG 1 2.923 -1.726 0.310 0.00 0.00 -0.004 C ATOM 14 C LIG 1 4.369 -2.117 0.402 0.00 0.00 +0.138 C ATOM 15 O LIG 1 7.012 -2.434 -0.251 0.00 0.00 -0.226 OA BRANCH 8 16 ATOM 16 O LIG 1 7.376 -0.185 -0.132 0.00 0.00 -0.448 OA BRANCH 16 18 ATOM 17 C LIG 1 9.330 0.888 -0.976 0.00 0.00 +0.052 C ATOM 18 C LIG 1 8.777 -0.401 -0.380 0.00 0.00 +0.172 C ATOM 19 C LIG 1 9.482 -0.733 0.931 0.00 0.00 +0.052 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 5 20 ATOM 20 N LIG 1 -3.092 0.785 -0.374 0.00 0.00 -0.326 N ATOM 21 C LIG 1 -3.875 1.274 0.792 0.00 0.00 +0.123 C ATOM 22 C LIG 1 -4.050 2.820 0.772 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -4.627 3.301 2.108 0.00 0.00 +0.026 C ATOM 24 N LIG 1 -4.756 3.316 -0.442 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -6.188 3.555 -0.280 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -4.528 2.420 -1.603 0.00 0.00 +0.103 C ATOM 27 C LIG 1 -3.178 1.672 -1.568 0.00 0.00 +0.120 C ENDBRANCH 5 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.790 -1.337 -2.013 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.225 -1.628 -2.801 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -3.046 -1.856 -2.103 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -3.438 -2.272 -3.197 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.919 -2.023 -0.908 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.570 -2.781 0.292 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.468 -2.866 1.296 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -5.808 -2.240 1.176 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.609 -2.277 2.102 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -6.084 -1.655 -0.031 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -7.010 -1.258 -0.135 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -5.169 -1.546 -1.049 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.283 -3.545 0.377 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -1.283 -2.789 0.899 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.850 -3.994 -0.830 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7